Androst-4-ene-3,17-dione,4-hydroxy-2,2-dimethyl- (9CI) | 132609-68-8
Androst-4-ene-3,17-dione,4-hydroxy-2,2-dimethyl- (9CI)
132609-68-8
C21H30O3
330.4611
名称和标识符
InChIKey |
GASOXWYLNQSLDI-UHFFFAOYSA-N |
Inchi |
InChI=1S/C21H30O3/c1-19(2)11-21(4)14-9-10-20(3)13(7-8-16(20)22)12(14)5-6-15(21)17(23)18(19)24/h12-14,23H,5-11H2,1-4H3 |
SMILES |
O=C1C(O)=C2C(C3CCC4(C(CCC4C3CC2)=O)C)(C)CC1(C)C |
别名信息
- 英文别名 -
- Androst-4-ene-3,17-dione,4-hydroxy-2,2-dimethyl- (9CI)
- (8R,9S,10R,13S,14S)-4-hydroxy-2,2,10,13-tetramethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
- 2,2-dimethyl-4-hydroxy-4-androstene-3,17-dione
- 2,2-Dhad
- 4-hydroxy-2,2-dimethylandrost-4-ene-3,17-dione
- SCHEMBL1553342
- 4-Hydroxy-2,2-dimethylandrost-4-ene-3,17-dione
- 132609-68-8
- 2,2-Dimethyl-4-hydroxy-4-androstene-3,17-dione
- DTXSID00927748
物化性质
实验特性
计算特性
精确分子量 |
330.2196 |
氢键供体数量 |
1 |
氢键受体数量 |
3 |
可旋转化学键数量 |
0 |
同位素质量 |
330.21949481g/mol |
重原子数量 |
24 |
复杂度 |
658 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
5 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
3.5 |
拓扑分子极性表面积 |
54.4Ų |